- InChI
- InChI=1S/C30H59NO5Si3/c1-29-19-26(32)28-23-15-13-22(35-38(6,7)8)18-21(23)12-14-24(28)25(29)16-17-30(29,36-39(9,10)11)27(31-33-2)20-34-37(3,4)5/h21-26,28,32H,12-20H2,1-11H3/t21-,22-,23?,24?,25?,26+,28?,29+,30+/m0/s1
- InChI Key
- SJJWISDCLSBKEO-DXEOIHHFSA-N
- Formula
- C30H59NO5Si3
- SMILES
-
CON=C(CO[Si](C)(C)C)C1(O[Si](C
)(C)C)CCC2C3CCC4CC(O[Si](C)(C) C)CCC4C3C(O)CC21C - Molecular Weight1
- 598.05
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9112 | Relay (1.0) Calculated Property | |
| ΔfG° | -94.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1266.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 128.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.274 | Crippen Calculated Property | |
| Inp | 3182.00 | NIST | |
| Tboil | 736.35 | K | Relay (1.0) Calculated Property |
| Tc | 1001.03 | K | Relay (1.0) Calculated Property |
| Tfus | 417.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.866 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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